SpectraBase Spectrum ID |
6nN9uyxxPpt |
Name |
(R)-2-(Cyclopentyloxy)-1-methoxy-4-(1-nitrobut-3-en-2-yl)-benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.147058156 u |
Formula |
C16H21NO4 |
InChI |
InChI=1S/C16H21NO4/c1-3-12(11-17(18)19)13-8-9-15(20-2)16(10-13)21-14-6-4-5-7-14/h3,8-10,12,14H,1,4-7,11H2,2H3/t12-/m0/s1 |
InChIKey |
UJKUZVBUKMRUSA-LBPRGKRZSA-N |
SMILES |
C=1(C=CC(=C(C1)OC1CCCC1)OC)[C@@](C=C)(C[N+](=O)[O-])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955222 |